3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

C15H13F2N3O3S — CID 75385746

IUPAC3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2[nH]nc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C)o1
InChIInChI=1S/C15H13F2N3O3S/c1-8-3-6-13(23-8)14-9(2)15(19-18-14)20-24(21,22)10-4-5-11(16)12(17)7-10/h3-7H,1-2H3,(H2,18,19,20)
InChIKeyOLPFINBCQSGUMR-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.37
Rot. Bonds4

About 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 75385746) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID75385746
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC Name3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2[nH]nc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C)o1
InChIInChI=1S/C15H13F2N3O3S/c1-8-3-6-13(23-8)14-9(2)15(19-18-14)20-24(21,22)10-4-5-11(16)12(17)7-10/h3-7H,1-2H3,(H2,18,19,20)
InChIKeyOLPFINBCQSGUMR-UHFFFAOYSA-N
XLogP3.37
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 75385748
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-fluoro-4-nitrobenzenesulfonamide
CID 104620831
3,4-difluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25046115
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 115910794
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
2-(cyclohexen-1-yl)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]acetamide
CID 136516483
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 75385746) is 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is Cc1ccc(-c2[nH]nc(NS(=O)(=O)c3ccc(F)c(F)c3)c2C)o1.
What is the InChIKey of 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is OLPFINBCQSGUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c1-8-3-6-13(23-8)14-9(2)15(19-18-14)20-24(21,22)10-4-5-11(16)12(17)7-10/h3-7H,1-2H3,(H2,18,19,20).
What are the key properties of 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 353.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 75385746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).